CAS RN: 2418596-95-7
(R)-1-(4-(4-methylthiazol-5-yl)phenyl)ethan-1-amine HCl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260312 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2418596-95-7
- Purity/Analytical Methods: >99.0%
2418596-95-7 / (1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;dihydrochloride
Basic Information
CAS
2418596-95-7
Multi CAS
No
Molecular Formula
C12H16Cl2N2S
Molecular Weight
291.200000
Exact Mass
290.041125
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)N.Cl.Cl
InChI
InChI=1S/C12H14N2S.2ClH/c1-8(13)10-3-5-11(6-4-10)12-9(2)14-7-15-12;;/h3-8H,13H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKey
NWIMPCHBIZHFHO-JZGIKJSDSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.39
TPSA
38.91
LogP / Solubility
WLOGP
3.98
MLOGP
3.51
XLogP3
3.98
Consensus LogP
3.82
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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